Basic information
- CAS
105892-18-0- Standard SMILES
O=C([O-])CSc1ccc([N+](=O)[O-])cc1.[NH3+]CCO- InChIKey
PHGRMMVCLZDVJI-UHFFFAOYSA-N- Molecular formula
- C10H14N2O5S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06234272
Names & identifiers
- Preferred name
- Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-hydroxyethylazanium;2-(4-nitrophenyl)sulfanylacetate
Names & synonyms
105892-18-0((4-Nitrophenyl)thio)acetic acid 2-aminoethanol (1:1)RefChem:3159972-hydroxyethylazanium;2-(4-nitrophenyl)sulfanylacetate2-hydroxyethylammonium 4-nitrophenylsulfanylacetate
Database identifiers
- CAS
105892-18-0- PubChem CID
- 60052
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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